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Chemical Modelling covers a wide range of disciplines and is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments and current opinion in the applications and theory of chemical modelling.
The aim of this book is to provide an overview on the importance of stoichiometry in the materials science field. It presents a collection of selected research articles and reviews providing up-to-date information related to stoichiometry at various levels. Being materials science an interdisciplinary area, the book has been divided in multiple sections, each for a specific field of applications. The first two sections introduce the role of stoichiometry in nanotechnology and defect chemistry, providing examples of state-of-the-art technologies. Section three and four are focused on intermetallic compounds and metal oxides. Section five describes the importance of stoichiometry in electrochemical applications. In section six new strategies for solid phase synthesis are reported, while a cross sectional approach to the influence of stoichiometry in energy production is the topic of the last section. Though specifically addressed to readers with a background in physical science, I believe this book will be of interest to researchers working in materials science, engineering and technology.
Mineral-filled polymer composites exhibit several advantages that make this material class attractive for a variety of applications, including their low cost, light weight, excellent rigidity, and high mechanical strength. Mineral-Filled Polymer Composites Handbook serves as a comprehensive overview of the latest research, trends, applications, and future directions of advanced mineral fiber-reinforced polymer composites. Comprised of 2 volumes: Mineral-Filled Polymer Composites: Perspective, Properties, and New Materials Mineral-Filled Polymer Composites: Selection, Processing, and Applications Presents details on processing, applications, and ageing of macro- to nanosized mineral reinforce...
Mineral-filled polymer composites are widely used in industries across the globe, and applications are continuously increasing in sectors such as shipping, manufacturing and renewable energy. One of two volumes comprising the Mineral-Filled Polymer Composites Handbook, this volume provides an overview of the latest research and future directions of advanced mineral fiber-reinforced polymer composites, focused specifically on materials properties. It covers fundamentals, recent progress and new materials involved in mineral-filled polymer composites and includes a wide-ranging list of chapters authored by an international team of experts. This book: Examines the properties of a wide range of ...
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
This edited volume deals with the attempts made by the scientists and practitioners to address contemporary issues in geoenvironmental engineering such as characterization of dredged sediments, geomaterials and waste, valorization of waste, sustainability in waste management and some other geoenvironmental issues that are becoming quite relevant in today's world especially in view of the high urbanization rates, advancement in technologies, and changes in consumption behavior of people. In this regard, wastes generated through the daily activities of individuals and organizations pose many challenges in their management. The volume is based on the best contributions to the 2nd GeoMEast International Congress and Exhibition on Sustainable Civil Infrastructures, Egypt 2018 – The official international congress of the Soil-Structure Interaction Group in Egypt (SSIGE).
A comprehensive guide that offers a review of the current technologies that tackle CO2 emissions The race to reduce CO2 emissions continues to be an urgent global challenge. "Engineering Solutions for CO2 Conversion" offers a thorough guide to the most current technologies designed to mitigate CO2 emissions ranging from CO2 capture to CO2 utilization approaches. With contributions from an international panel representing a wide range of expertise, this book contains a multidisciplinary toolkit that covers the myriad aspects of CO2 conversion strategies. Comprehensive in scope, it explores the chemical, physical, engineering and economical facets of CO2 conversion. "Engineering Solutions for ...
This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate activity of transition metal sites in bio- and inorganic catalysis, but also pose challenges for both theoretical and experimental studies. Written by an international group of recognized experts, the book reviews recent advances in computational modeling and discusses their interplay using experiments. It covers a broad range of topics, including advanced computational methods for transition metal systems; spectroscopic, electrochemical and catalytic properties of transition metals in coordination environments; metalloenzymes and biomimetic compounds; and spin-related phenomena. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in both fundamental and application-oriented research in the field of transition metal systems.
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